Information card for entry 7058798

Structure parameters

• Formula: C9 H11 O3 P S
• Calculated formula: C9 H11 O3 P S
• Title of publication: Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions
• Authors of publication: Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 15413
• a: 6.6103 ± 0.0015 Å
• b: 7.7451 ± 0.0011 Å
• c: 20.145 ± 0.004 Å
• α: 90°
• β: 94.289 ± 0.017°
• γ: 90°
• Cell volume: 1028.5 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No